Solypertine

CAT: 0931-T202185-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202185-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

4448-96-8

Bioactivity

Solypertine is an antiadrenergic compound.

Smiles

O(C=1C=CC=CC1N2CCN(CCC3=CNC=4C=C5OCOC5=CC43)CC2)C

Molecular Formula

C22H25N3O3

Molecular Weight

379.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Solypertine

Solypertine is a small molecule drug. Solypertine has a monoisotopic molecular weight of 379.19 Da.

CAS Number	4448-96-8
PubChem CID	20517
IUPAC Name	7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole
Molecular Formula	C22H25N3O3
Molecular Weight	379.5
XLogP	3.7
Topological Polar Surface Area	50
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	513

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5

InChI

InChI=1S/C22H25N3O3/c1-26-20-5-3-2-4-19(20)25-10-8-24(9-11-25)7-6-16-14-23-18-13-22-21(12-17(16)18)27-15-28-22/h2-5,12-14,23H,6-11,15H2,1H3

InChIKey

GIWODWVYEOAGQV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4448-96-8

CID: 20517

Formula: C22H25N3O3

MW: 379.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.5
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	379.18959167
Monoisotopic Mass	379.18959167
Topological Polar Surface Area	50 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19242363-01	Solypertine